1-[(3-fluoro-4-piperidin-1-ylphenyl)methyl]-3-(1-methylindazol-4-yl)urea

C21H24FN5O — CID 22337698

IUPAC1-[(3-fluoro-4-piperidin-1-ylphenyl)methyl]-3-(1-methylindazol-4-yl)urea
SMILESCn1ncc2c(NC(=O)NCc3ccc(N4CCCCC4)c(F)c3)cccc21
InChIInChI=1S/C21H24FN5O/c1-26-19-7-5-6-18(16(19)14-24-26)25-21(28)23-13-15-8-9-20(17(22)12-15)27-10-3-2-4-11-27/h5-9,12,14H,2-4,10-11,13H2,1H3,(H2,23,25,28)
InChIKeyWWQDOUSOURMKGC-UHFFFAOYSA-N
MW381.46 g/mol
LogP4.02
Rot. Bonds4

About 1-[(3-fluoro-4-piperidin-1-ylphenyl)methyl]-3-(1-methylindazol-4-yl)urea

1-[(3-fluoro-4-piperidin-1-ylphenyl)methyl]-3-(1-methylindazol-4-yl)urea (PubChem CID 22337698) has the molecular formula C21H24FN5O and a molecular weight of 381.46 g/mol. Its IUPAC name is 1-[(3-fluoro-4-piperidin-1-ylphenyl)methyl]-3-(1-methylindazol-4-yl)urea.

Molecular Properties

Compound Name1-[(3-fluoro-4-piperidin-1-ylphenyl)methyl]-3-(1-methylindazol-4-yl)urea
PubChem CID22337698
Molecular FormulaC21H24FN5O
Molecular Weight381.46 g/mol
Exact Mass381.20
IUPAC Name1-[(3-fluoro-4-piperidin-1-ylphenyl)methyl]-3-(1-methylindazol-4-yl)urea
SMILESCn1ncc2c(NC(=O)NCc3ccc(N4CCCCC4)c(F)c3)cccc21
InChIInChI=1S/C21H24FN5O/c1-26-19-7-5-6-18(16(19)14-24-26)25-21(28)23-13-15-8-9-20(17(22)12-15)27-10-3-2-4-11-27/h5-9,12,14H,2-4,10-11,13H2,1H3,(H2,23,25,28)
InChIKeyWWQDOUSOURMKGC-UHFFFAOYSA-N
XLogP4.02
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(3-fluoro-4-piperidin-1-ylphenyl)methyl]-3-(1-methylindazol-4-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-4-piperidin-1-ylphenyl)methyl]-3-(1-methylindazol-4-yl)urea?
The IUPAC name of 1-[(3-fluoro-4-piperidin-1-ylphenyl)methyl]-3-(1-methylindazol-4-yl)urea (CID 22337698) is 1-[(3-fluoro-4-piperidin-1-ylphenyl)methyl]-3-(1-methylindazol-4-yl)urea.
What is the SMILES notation for 1-[(3-fluoro-4-piperidin-1-ylphenyl)methyl]-3-(1-methylindazol-4-yl)urea?
The canonical SMILES for 1-[(3-fluoro-4-piperidin-1-ylphenyl)methyl]-3-(1-methylindazol-4-yl)urea is Cn1ncc2c(NC(=O)NCc3ccc(N4CCCCC4)c(F)c3)cccc21.
What is the InChIKey of 1-[(3-fluoro-4-piperidin-1-ylphenyl)methyl]-3-(1-methylindazol-4-yl)urea?
The InChIKey is WWQDOUSOURMKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O/c1-26-19-7-5-6-18(16(19)14-24-26)25-21(28)23-13-15-8-9-20(17(22)12-15)27-10-3-2-4-11-27/h5-9,12,14H,2-4,10-11,13H2,1H3,(H2,23,25,28).
What are the key properties of 1-[(3-fluoro-4-piperidin-1-ylphenyl)methyl]-3-(1-methylindazol-4-yl)urea?
1-[(3-fluoro-4-piperidin-1-ylphenyl)methyl]-3-(1-methylindazol-4-yl)urea has a molecular weight of 381.46 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-4-piperidin-1-ylphenyl)methyl]-3-(1-methylindazol-4-yl)urea is sourced from PubChem (CID 22337698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).